3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide

C17H17FN4O3 — CID 146371129

IUPAC3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide
SMILESCOc1cc(CNC(=O)c2ccc(F)c(CN=[N+]=[N-])c2)cc(OC)c1
InChIInChI=1S/C17H17FN4O3/c1-24-14-5-11(6-15(8-14)25-2)9-20-17(23)12-3-4-16(18)13(7-12)10-21-22-19/h3-8H,9-10H2,1-2H3,(H,20,23)
InChIKeyYWEQIXSGFXXBBJ-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.58
Rot. Bonds7

About 3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide

3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide (PubChem CID 146371129) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide
PubChem CID146371129
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide
SMILESCOc1cc(CNC(=O)c2ccc(F)c(CN=[N+]=[N-])c2)cc(OC)c1
InChIInChI=1S/C17H17FN4O3/c1-24-14-5-11(6-15(8-14)25-2)9-20-17(23)12-3-4-16(18)13(7-12)10-21-22-19/h3-8H,9-10H2,1-2H3,(H,20,23)
InChIKeyYWEQIXSGFXXBBJ-UHFFFAOYSA-N
XLogP3.58
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
methyl 2-[[3-(azidomethyl)-4-fluorophenyl]methyl]benzoate
CID 57006779
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
(3S)-4-azido-3-[[4-[[(4-fluoro-3-methylbenzoyl)amino]methyl]benzoyl]amino]butanoic acid
CID 24882313

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide (CID 146371129) is 3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide is COc1cc(CNC(=O)c2ccc(F)c(CN=[N+]=[N-])c2)cc(OC)c1.
What is the InChIKey of 3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide?
The InChIKey is YWEQIXSGFXXBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-24-14-5-11(6-15(8-14)25-2)9-20-17(23)12-3-4-16(18)13(7-12)10-21-22-19/h3-8H,9-10H2,1-2H3,(H,20,23).
What are the key properties of 3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide?
3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide has a molecular weight of 344.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 146371129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).